2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole

C13H24N2 — CID 172810677

IUPAC2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCCc1ncc(C(C)(C)CCC)[nH]1
InChIInChI=1S/C13H24N2/c1-5-7-8-12-14-10-11(15-12)13(3,4)9-6-2/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeySDATUVXYJQPVJW-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.83
Rot. Bonds6

About 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole

2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole (PubChem CID 172810677) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
PubChem CID172810677
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCCc1ncc(C(C)(C)CCC)[nH]1
InChIInChI=1S/C13H24N2/c1-5-7-8-12-14-10-11(15-12)13(3,4)9-6-2/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeySDATUVXYJQPVJW-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-5-propyl-1H-imidazole
CID 68810469
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733
2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole
CID 89497732
5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
CID 150315714
5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651212
2-ethynyl-5-(2-methylheptan-2-yl)-1H-imidazole
CID 129132503
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
CID 22414662
2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
CID 10617878
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
CID 10262767
2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride
CID 88919910

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole?
The IUPAC name of 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole (CID 172810677) is 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole?
The canonical SMILES for 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole is CCCCc1ncc(C(C)(C)CCC)[nH]1.
What is the InChIKey of 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole?
The InChIKey is SDATUVXYJQPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-8-12-14-10-11(15-12)13(3,4)9-6-2/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole?
2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole is sourced from PubChem (CID 172810677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).